methyl 6-[[4-(3-methylbutylsulfanyl)-3-nitro-phenyl]carbonylamino]hexanoate

Systemtic Name: methyl 6-[[4-(3-methylbutylsulfanyl)-3-nitro-phenyl]carbonylamino]hexanoate Openeye Name: methyl 6-[(4-isopentylsulfanyl-3-nitro-benzoyl)amino]hexanoate CAS Name: 6-[[[4-(3-methylbutylthio)-3-nitrophenyl]-oxomethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[4-(3-methylbutylsulfanyl)-3-nitrobenzoyl]amino]hexanoate Traditional Name: 6-[[4-(isoamylthio)-3-nitro-benzoyl]amino]hexanoic acid methyl ester Formula: C19H28N2O5S MolecularWeight: 396.50102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=C(C=C(C=C1)C(=O)NCCCCCC(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCSC1=C(C=C(C=C1)C(=O)NCCCCCC(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C19H28N2O5S/c1-14(2)10-12-27-17-9-8-15(13-16(17)21(24)25)19(23)20-11-6-4-5-7-18(22)26-3/h8-9,13-14H,4-7,10-12H2,1-3H3,(H,20,23)